#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7c s SER 2 N 0.00 -0.62 0.07 1.61 0.15 -1.26 -5.18 113.70 108.47 2e7c s SER 2 Ca 0.00 1.12 -0.26 0.00 0.70 0.00 0.00 55.95 57.50 2e7c s SER 2 Cb 0.00 1.18 0.09 0.00 -1.71 0.00 0.00 66.02 65.58 2e7c s SER 2 CO 0.00 -0.19 1.16 -0.44 1.20 0.00 0.00 173.24 174.97 2e7c s SER 3 N 0.72 -0.04 0.00 5.45 0.01 -1.26 -5.16 113.70 113.42 2e7c s SER 3 Ca -0.02 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2e7c s SER 3 Cb -0.05 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2e7c s SER 3 CO -0.08 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2e7c n GLY 4 N -0.66 3.21 3.41 3.44 0.00 -1.26 -5.18 105.19 108.15 2e7c n GLY 4 Ca -0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2e7c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e7c s SER 5 N 0.00 -0.49 0.12 1.61 0.15 -1.26 -5.18 113.70 108.64 2e7c s SER 5 Ca 0.00 0.65 -0.10 0.00 0.70 0.00 0.00 55.95 57.20 2e7c s SER 5 Cb 0.00 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2e7c s SER 5 CO 0.00 -0.43 0.25 -0.94 1.20 0.00 0.00 173.24 173.33 2e7c s SER 6 N -0.76 0.04 0.00 5.45 1.04 -1.26 -5.15 113.70 113.05 2e7c s SER 6 Ca -0.08 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2e7c s SER 6 Cb -0.03 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2e7c s SER 6 CO 0.05 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2e7c n GLY 7 N -0.13 4.26 2.94 7.32 0.00 -1.26 -5.13 105.19 113.19 2e7c n GLY 7 Ca -0.13 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 2e7c n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e7c s THR 8 N -0.09 1.21 -0.01 2.61 -4.23 -1.26 -5.12 115.64 108.75 2e7c s THR 8 Ca 0.00 -0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2e7c s THR 8 Cb 0.00 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.63 2e7c s THR 8 CO 0.00 0.37 0.01 -1.48 -0.54 0.00 0.00 174.62 172.99 2e7c s LEU 9 N 1.63 1.92 -0.87 4.79 0.05 -1.26 -5.10 118.68 119.85 2e7c s LEU 9 Ca 0.05 0.03 -0.20 0.00 0.05 0.00 0.00 54.13 54.05 2e7c s LEU 9 Cb -0.13 0.04 0.10 0.00 -2.05 0.00 0.00 46.19 44.15 2e7c s LEU 9 CO -0.09 -0.01 1.13 0.00 -0.55 0.00 0.00 176.35 176.83 2e7c s ALA 10 N 0.04 3.21 0.26 1.48 0.00 -1.26 -5.00 121.76 120.49 2e7c s ALA 10 Ca -0.00 -2.45 -0.27 0.00 0.00 0.00 0.00 51.96 49.24 2e7c s ALA 10 Cb -0.00 -4.06 -0.16 0.00 0.00 0.00 0.00 23.12 18.89 2e7c s ALA 10 CO -0.00 -3.01 0.54 0.94 0.00 0.00 0.00 175.76 174.23 2e7c n GLN 11 N 7.17 0.26 -1.10 0.00 7.27 -1.26 -4.93 117.38 124.79 2e7c n GLN 11 Ca 0.18 0.09 -0.30 0.00 0.07 0.00 0.00 57.00 57.04 2e7c n GLN 11 Cb 0.48 -1.18 0.23 0.00 2.41 0.00 0.00 30.24 32.18 2e7c n GLN 11 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2e7c s PRO 12 N -1.14 -0.87 -0.17 3.69 0.04 -1.26 -5.05 135.00 130.25 2e7c s PRO 12 Ca 0.62 0.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 2e7c s PRO 12 Cb -0.83 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 2e7c s PRO 12 CO 0.58 -3.50 -0.12 0.08 0.04 0.00 0.00 177.00 174.07 2e7c s VAL 13 N -2.99 2.92 0.19 -0.36 1.01 -1.26 -5.12 120.40 114.79 2e7c s VAL 13 Ca 0.70 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2e7c s VAL 13 Cb -0.12 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2e7c s VAL 13 CO 0.56 0.50 0.37 0.28 0.00 0.00 0.00 175.10 176.81 2e7c s THR 14 N 0.86 5.22 -0.12 3.92 -1.32 -1.26 -5.10 115.64 117.84 2e7c s THR 14 Ca -0.03 -0.36 0.03 0.00 -1.21 0.00 0.00 61.69 60.12 2e7c s THR 14 Cb -0.15 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.12 2e7c s THR 14 CO -0.00 -0.13 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.42 2e7c s ILE 15 N -1.82 2.08 -0.32 5.08 1.01 -1.26 -5.01 121.20 120.95 2e7c s ILE 15 Ca 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2e7c s ILE 15 Cb -0.11 -1.81 0.30 0.00 0.01 0.00 0.00 42.46 40.85 2e7c s ILE 15 CO 0.29 0.55 1.81 0.54 0.00 0.00 0.00 174.94 178.13 2e7c n ARG 16 N 3.77 1.84 -4.58 2.79 3.00 -1.26 -4.89 116.66 117.33 2e7c n ARG 16 Ca -0.19 -1.76 -0.31 0.00 -0.01 0.00 0.00 57.85 55.57 2e7c n ARG 16 Cb 0.52 -1.69 -0.12 0.00 0.00 0.00 0.00 32.46 31.17 2e7c n ARG 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2e7c s GLU 17 N -2.01 2.12 0.23 5.56 2.02 -1.26 -5.07 118.70 120.29 2e7c s GLU 17 Ca 0.34 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 54.11 2e7c s GLU 17 Cb 0.28 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 32.19 2e7c s GLU 17 CO 0.02 0.54 0.86 0.42 0.02 0.00 0.00 175.26 177.12 2e7c s ILE 18 N -0.97 4.27 -0.18 -1.63 1.01 -1.26 -4.97 121.20 117.48 2e7c s ILE 18 Ca 0.16 1.79 -0.25 0.00 0.00 0.00 0.00 60.65 62.35 2e7c s ILE 18 Cb -0.11 -4.13 -0.22 0.00 0.01 0.00 0.00 42.46 38.02 2e7c s ILE 18 CO 0.06 0.39 0.44 0.00 0.00 0.00 0.00 174.94 175.83 2e7c h ALA 19 N 3.89 0.16 -3.52 9.38 0.00 -2.00 -3.47 119.26 123.70 2e7c h ALA 19 Ca -0.46 -0.92 -0.37 0.00 0.00 0.00 0.00 54.91 53.15 2e7c h ALA 19 Cb 1.20 0.44 -0.33 0.00 0.00 0.00 0.00 17.79 19.09 2e7c h ALA 19 CO 0.66 0.41 -0.76 -2.00 0.00 0.00 0.00 179.25 177.57 2e7c s GLU 20 N -2.30 0.58 0.60 0.00 2.56 -1.23 -4.89 118.70 114.02 2e7c s GLU 20 Ca -0.25 -0.04 -0.17 0.00 0.00 0.00 0.00 54.97 54.51 2e7c s GLU 20 Cb 0.02 -0.65 -0.03 0.00 2.00 0.00 0.00 34.13 35.47 2e7c s GLU 20 CO 0.63 -0.08 1.12 -1.25 -0.56 0.00 0.00 175.26 175.12 2e7c s PRO 21 N 0.85 3.08 0.19 4.30 0.04 -1.26 -0.37 135.00 141.83 2e7c s PRO 21 Ca -0.10 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 2e7c s PRO 21 Cb -0.13 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2e7c s PRO 21 CO -0.01 -1.05 1.31 -1.25 0.04 0.00 0.00 177.00 176.04 2e7c s PRO 22 N -3.69 4.39 -0.21 0.56 0.04 -1.26 -3.46 135.00 131.36 2e7c s PRO 22 Ca 0.70 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.74 2e7c s PRO 22 Cb -0.22 -3.20 0.11 0.00 0.04 0.00 0.00 34.50 31.22 2e7c s PRO 22 CO 0.34 -0.25 0.32 0.21 0.04 0.00 0.00 177.00 177.66 2e7c s LYS 23 N -0.05 0.27 -0.81 4.56 2.47 -0.96 -4.84 119.74 120.38 2e7c s LYS 23 Ca 0.57 0.55 -0.21 0.00 -1.56 0.00 0.00 55.97 55.32 2e7c s LYS 23 Cb -0.36 -0.48 0.09 0.00 -1.46 0.00 0.00 37.83 35.62 2e7c s LYS 23 CO 0.38 -0.53 1.10 0.42 0.16 0.00 0.00 175.35 176.87 2e7c s ILE 24 N 2.48 4.40 -0.86 5.43 1.01 -1.26 -0.83 121.20 131.57 2e7c s ILE 24 Ca 0.07 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.64 2e7c s ILE 24 Cb -0.14 -4.77 0.03 0.00 0.01 0.00 0.00 42.46 37.58 2e7c s ILE 24 CO -0.13 -1.55 1.42 -0.13 0.00 0.00 0.00 174.94 174.55 2e7c s ARG 25 N 3.72 3.30 0.26 2.79 1.81 -0.44 -4.99 118.95 125.39 2e7c s ARG 25 Ca 0.29 -0.57 -0.29 0.00 -1.72 0.00 0.00 55.73 53.45 2e7c s ARG 25 Cb -0.10 -4.73 -0.09 0.00 -0.45 0.00 0.00 34.95 29.57 2e7c s ARG 25 CO 0.01 -2.27 0.93 -0.51 -0.68 0.00 0.00 175.30 172.78 2e7c s LEU 26 N 5.83 4.57 0.00 2.53 1.43 -1.26 -3.31 118.68 128.47 2e7c s LEU 26 Ca 0.43 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2e7c s LEU 26 Cb -0.05 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2e7c s LEU 26 CO 0.04 0.11 0.00 -0.81 0.23 0.00 0.00 176.35 175.92 2e7c n PRO 27 N 1.27 -0.43 -0.00 1.29 -0.04 -1.26 -5.01 135.00 130.82 2e7c n PRO 27 Ca -0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 2e7c n PRO 27 Cb 0.48 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 2e7c n PRO 27 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2e7c n ARG 28 N -1.07 3.30 0.07 0.54 5.12 -1.26 -4.23 116.66 119.13 2e7c n ARG 28 Ca 0.00 -0.02 0.12 0.00 -1.93 0.00 0.00 57.85 56.02 2e7c n ARG 28 Cb 0.00 -0.94 0.17 0.00 -1.16 0.00 0.00 32.46 30.53 2e7c n ARG 28 CO 0.00 0.00 0.00 1.12 -1.93 0.00 0.00 177.63 176.82 2e7c h HIS 29 N 0.00 0.00 0.03 -1.55 2.07 -1.95 -3.35 115.15 110.40 2e7c h HIS 29 Ca 0.00 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.15 2e7c h HIS 29 Cb 0.22 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.15 2e7c h HIS 29 CO 0.00 0.00 -2.24 1.28 -3.07 0.00 0.00 177.93 173.90 2e7c n LEU 30 N -2.15 1.94 -0.31 6.12 4.77 -1.26 -4.38 117.00 121.73 2e7c n LEU 30 Ca 0.03 0.05 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 2e7c n LEU 30 Cb 0.44 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.36 2e7c n LEU 30 CO 0.36 0.75 0.77 0.54 -1.33 0.00 0.00 177.39 178.48 2e7c n ARG 31 N -3.17 -0.07 -3.22 3.23 1.74 -1.26 -4.26 116.66 109.66 2e7c n ARG 31 Ca -0.36 1.33 -0.35 0.00 -0.77 0.00 0.00 57.85 57.71 2e7c n ARG 31 Cb 1.05 -2.17 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 2e7c n ARG 31 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2e7c s GLN 32 N -5.77 4.07 -0.39 5.56 -2.07 -1.26 -4.92 119.66 114.88 2e7c s GLN 32 Ca -0.11 0.65 -0.35 0.00 -1.82 0.00 0.00 55.36 53.74 2e7c s GLN 32 Cb 0.27 -2.78 -0.15 0.00 -1.09 0.00 0.00 33.01 29.27 2e7c s GLN 32 CO 0.70 0.36 1.63 2.41 -1.32 0.00 0.00 175.29 179.08 2e7c n THR 33 N 0.43 0.00 -2.18 3.63 -1.04 -1.26 -4.77 114.28 109.09 2e7c n THR 33 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2e7c n THR 33 Cb 0.52 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.61 2e7c n THR 33 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2e7c s TYR 34 N 4.46 2.19 -0.19 -1.42 5.04 -1.16 -4.93 117.35 121.33 2e7c s TYR 34 Ca 0.92 0.63 -0.09 0.00 -2.44 0.00 0.00 57.07 56.09 2e7c s TYR 34 Cb -1.17 -4.06 -0.05 0.00 0.35 0.00 0.00 41.96 37.03 2e7c s TYR 34 CO 0.53 -2.58 0.13 0.42 -1.34 0.00 0.00 175.55 172.71 2e7c s ILE 35 N 5.46 5.37 -0.01 3.14 -1.09 -1.26 -0.90 121.20 131.90 2e7c s ILE 35 Ca 0.69 0.17 -0.08 0.00 -2.23 0.00 0.00 60.65 59.20 2e7c s ILE 35 Cb -0.21 -3.43 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2e7c s ILE 35 CO 0.30 0.46 0.16 -0.13 -1.23 0.00 0.00 174.94 174.51 2e7c s ARG 36 N 0.19 0.46 0.41 2.79 1.81 -0.83 -5.01 118.95 118.78 2e7c s ARG 36 Ca 0.08 -0.27 -0.05 0.00 -1.72 0.00 0.00 55.73 53.77 2e7c s ARG 36 Cb -0.11 0.20 -0.04 0.00 -0.45 0.00 0.00 34.95 34.54 2e7c s ARG 36 CO -0.01 -0.11 0.70 0.15 -0.68 0.00 0.00 175.30 175.36 2e7c s LYS 37 N -1.14 3.59 0.40 3.54 1.02 -1.26 -0.28 119.74 125.61 2e7c s LYS 37 Ca -0.12 0.12 -0.26 0.00 0.02 0.00 0.00 55.97 55.73 2e7c s LYS 37 Cb -0.06 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 2e7c s LYS 37 CO 0.02 -0.05 1.32 0.08 -0.92 0.00 0.00 175.35 175.80 2e7c s VAL 38 N -2.50 2.58 0.00 3.17 1.01 -0.95 -3.06 120.40 120.66 2e7c s VAL 38 Ca 0.46 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2e7c s VAL 38 Cb -0.10 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2e7c s VAL 38 CO 0.39 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2e7c n GLY 39 N 0.67 1.90 3.65 4.51 0.00 -1.24 -4.78 105.19 109.90 2e7c n GLY 39 Ca 0.03 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 2e7c n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2e7c n GLU 40 N 0.00 1.87 -0.78 1.61 1.02 -1.17 -3.82 120.64 119.36 2e7c n GLU 40 Ca 0.00 0.67 -0.30 0.00 -0.02 0.00 0.00 57.16 57.50 2e7c n GLU 40 Cb 0.00 -2.32 0.17 0.00 -0.02 0.00 0.00 31.44 29.27 2e7c n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2e7c s GLN 41 N -0.11 0.77 0.04 3.49 1.11 -1.26 -2.07 119.66 121.62 2e7c s GLN 41 Ca 0.72 1.28 0.07 0.00 0.01 0.00 0.00 55.36 57.43 2e7c s GLN 41 Cb -0.70 -1.72 -0.03 0.00 -1.01 0.00 0.00 33.01 29.55 2e7c s GLN 41 CO 0.48 -2.71 -0.18 -0.51 0.01 0.00 0.00 175.29 172.37 2e7c s LEU 42 N -6.62 2.61 -0.23 2.90 1.43 -1.15 -4.85 118.68 112.77 2e7c s LEU 42 Ca 0.66 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 2e7c s LEU 42 Cb -0.22 -1.52 0.12 0.00 0.03 0.00 0.00 46.19 44.60 2e7c s LEU 42 CO 0.59 0.26 0.31 0.21 0.23 0.00 0.00 176.35 177.94 2e7c s ASN 43 N -1.43 0.84 -0.31 2.29 3.84 -1.25 -3.40 114.94 115.52 2e7c s ASN 43 Ca 0.15 -0.07 0.02 0.00 0.21 0.00 0.00 52.86 53.17 2e7c s ASN 43 Cb -0.10 0.76 0.08 0.00 -0.55 0.00 0.00 41.25 41.43 2e7c s ASN 43 CO 0.05 -0.32 -0.00 -0.76 -2.79 0.00 0.00 177.10 173.28 2e7c s LEU 44 N 2.44 4.17 -0.81 3.21 1.43 -0.87 -4.98 118.68 123.28 2e7c s LEU 44 Ca 0.10 -1.70 -0.15 0.00 -1.03 0.00 0.00 54.13 51.35 2e7c s LEU 44 Cb -0.15 -1.64 0.19 0.00 0.03 0.00 0.00 46.19 44.62 2e7c s LEU 44 CO -0.16 -0.31 0.80 -0.69 0.23 0.00 0.00 176.35 176.22 2e7c s VAL 45 N 1.07 5.39 -0.44 -1.59 1.01 -1.26 -2.72 120.40 121.86 2e7c s VAL 45 Ca 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 61.98 59.75 2e7c s VAL 45 Cb -0.20 -4.51 0.10 0.00 0.00 0.00 0.00 36.38 31.77 2e7c s VAL 45 CO -0.05 -1.10 0.28 -0.69 0.00 0.00 0.00 175.10 173.54 2e7c s VAL 46 N 0.86 3.99 0.65 2.92 1.01 -1.17 -4.75 120.40 123.91 2e7c s VAL 46 Ca 0.19 -1.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.30 2e7c s VAL 46 Cb -0.12 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2e7c s VAL 46 CO -0.07 -0.66 1.11 -2.16 0.00 0.00 0.00 175.10 173.32 2e7c s PRO 47 N 1.33 2.82 0.13 2.72 0.04 -1.21 -3.33 135.00 137.50 2e7c s PRO 47 Ca 0.05 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 2e7c s PRO 47 Cb -0.24 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.37 2e7c s PRO 47 CO -0.01 -1.23 0.36 -0.59 0.04 0.00 0.00 177.00 175.58 2e7c s PHE 48 N -2.31 -0.10 0.34 0.56 -0.12 -1.25 -1.32 117.98 113.79 2e7c s PHE 48 Ca 0.67 -0.24 0.08 0.00 -0.05 0.00 0.00 56.93 57.38 2e7c s PHE 48 Cb -0.21 0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.31 2e7c s PHE 48 CO 0.41 -0.69 -0.05 -0.65 -0.05 0.00 0.00 175.22 174.19 2e7c s GLN 49 N -3.83 1.78 0.00 1.99 -0.21 -0.01 -4.67 119.66 114.71 2e7c s GLN 49 Ca 0.05 -1.94 0.00 0.00 0.02 0.00 0.00 55.36 53.48 2e7c s GLN 49 Cb 0.02 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.55 2e7c s GLN 49 CO -0.10 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 2e7c n GLY 50 N -0.78 4.63 3.26 3.09 0.00 -1.22 -2.27 105.19 111.90 2e7c n GLY 50 Ca -0.05 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 2e7c n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7c s LYS 51 N -3.76 0.95 -0.01 1.61 1.02 0.50 -4.37 119.74 115.69 2e7c s LYS 51 Ca 0.00 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 54.86 2e7c s LYS 51 Cb 0.00 0.39 -0.19 0.00 -0.52 0.00 0.00 37.83 37.51 2e7c s LYS 51 CO 0.00 -0.34 1.28 -1.00 -0.92 0.00 0.00 175.35 174.38 2e7c h PRO 52 N 2.59 0.08 -3.27 -1.68 0.13 -1.93 -3.27 132.00 124.65 2e7c h PRO 52 Ca -0.34 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.16 2e7c h PRO 52 Cb 1.22 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2e7c h PRO 52 CO 0.52 0.55 -0.76 0.50 -0.23 0.00 0.00 178.00 178.58 2e7c s ARG 53 N -4.26 0.86 -0.04 0.86 3.52 -1.26 -5.06 118.95 113.57 2e7c s ARG 53 Ca -0.16 -1.38 -0.30 0.00 -0.13 0.00 0.00 55.73 53.77 2e7c s ARG 53 Cb 0.02 -2.01 -0.05 0.00 -1.56 0.00 0.00 34.95 31.35 2e7c s ARG 53 CO 0.69 -1.06 1.48 -1.25 -0.81 0.00 0.00 175.30 174.35 2e7c s PRO 54 N 1.18 4.23 0.67 5.12 0.04 -1.26 -4.94 135.00 140.05 2e7c s PRO 54 Ca 0.13 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 2e7c s PRO 54 Cb -0.20 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2e7c s PRO 54 CO -0.15 -0.70 1.20 -1.14 0.04 0.00 0.00 177.00 176.25 2e7c s GLN 55 N 3.12 2.55 -0.08 4.56 0.74 -0.53 -4.91 119.66 125.12 2e7c s GLN 55 Ca 0.66 1.75 0.01 0.00 0.05 0.00 0.00 55.36 57.83 2e7c s GLN 55 Cb -0.31 -1.88 0.02 0.00 1.10 0.00 0.00 33.01 31.93 2e7c s GLN 55 CO 0.26 -1.52 -0.10 0.08 -0.55 0.00 0.00 175.29 173.46 2e7c s VAL 56 N -1.87 1.02 -0.00 1.34 1.01 -1.26 -3.10 120.40 117.54 2e7c s VAL 56 Ca 0.75 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.42 2e7c s VAL 56 Cb -0.29 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2e7c s VAL 56 CO 0.40 0.34 -0.21 -0.69 0.00 0.00 0.00 175.10 174.94 2e7c s VAL 57 N 1.04 1.69 -0.14 2.92 1.01 -1.13 -5.03 120.40 120.76 2e7c s VAL 57 Ca -0.08 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 2e7c s VAL 57 Cb -0.15 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.84 2e7c s VAL 57 CO -0.01 0.41 -0.09 0.26 0.00 0.00 0.00 175.10 175.68 2e7c s TRP 58 N -0.57 1.78 -0.08 5.22 0.52 -1.26 -3.13 118.94 121.42 2e7c s TRP 58 Ca 0.08 -1.00 -0.05 0.00 0.02 0.00 0.00 56.10 55.15 2e7c s TRP 58 Cb -0.08 -1.38 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 2e7c s TRP 58 CO -0.00 -0.59 0.20 0.95 0.02 0.00 0.00 176.95 177.52 2e7c s THR 59 N 1.61 -0.02 -0.97 2.01 -4.23 -1.21 -4.62 115.64 108.21 2e7c s THR 59 Ca 0.04 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.59 2e7c s THR 59 Cb -0.13 -0.30 0.24 0.00 1.34 0.00 0.00 72.50 73.65 2e7c s THR 59 CO -0.09 0.03 0.90 -1.59 -0.54 0.00 0.00 174.62 173.33 2e7c s LYS 60 N 0.68 3.60 0.00 3.99 -2.85 -1.19 -0.52 119.74 123.44 2e7c s LYS 60 Ca -0.05 -3.27 0.00 0.00 -1.00 0.00 0.00 55.97 51.65 2e7c s LYS 60 Cb -0.06 -4.16 0.00 0.00 -2.06 0.00 0.00 37.83 31.55 2e7c s LYS 60 CO -0.04 -1.26 0.00 0.41 0.10 0.00 0.00 175.35 174.57 2e7c n GLY 61 N 2.43 0.51 3.39 0.59 0.00 -1.11 -4.52 105.19 106.47 2e7c n GLY 61 Ca 0.22 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 2e7c n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7c n GLY 62 N -0.64 -1.14 3.62 -0.02 0.00 -1.26 -5.02 105.19 100.74 2e7c n GLY 62 Ca 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 2e7c n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e7c s ALA 63 N -3.30 -2.03 1.24 4.61 0.00 -1.26 -5.16 121.76 115.86 2e7c s ALA 63 Ca 0.33 1.74 -0.21 0.00 0.00 0.00 0.00 51.96 53.83 2e7c s ALA 63 Cb -0.08 -1.26 0.31 0.00 0.00 0.00 0.00 23.12 22.08 2e7c s ALA 63 CO 0.79 -0.24 1.11 -1.25 0.00 0.00 0.00 175.76 176.18 2e7c s PRO 64 N -0.52 -1.55 0.49 0.00 0.04 -1.26 -3.19 135.00 129.01 2e7c s PRO 64 Ca 0.03 -0.18 0.02 0.00 0.04 0.00 0.00 61.00 60.91 2e7c s PRO 64 Cb -0.03 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.92 2e7c s PRO 64 CO -0.06 -3.91 0.01 -0.51 0.04 0.00 0.00 177.00 172.58 2e7c s LEU 65 N -7.03 2.35 -0.78 -3.56 1.43 -1.26 -4.79 118.68 105.04 2e7c s LEU 65 Ca 0.72 -1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2e7c s LEU 65 Cb -0.08 -0.72 0.19 0.00 0.03 0.00 0.00 46.19 45.61 2e7c s LEU 65 CO 0.56 -0.80 0.62 1.51 0.23 0.00 0.00 176.35 178.47 2e7c s ASP 66 N -3.84 5.58 0.48 2.29 1.47 -1.26 -4.92 116.67 116.47 2e7c s ASP 66 Ca 0.10 -3.43 0.28 0.00 1.18 0.00 0.00 52.55 50.68 2e7c s ASP 66 Cb 0.03 -1.86 1.36 0.00 -0.34 0.00 0.00 42.92 42.11 2e7c s ASP 66 CO 0.05 -0.24 1.80 0.71 0.68 0.00 0.00 175.17 178.18 2e7c h THR 67 N 4.54 0.47 -0.90 2.11 1.35 -2.00 0.22 112.91 118.69 2e7c h THR 67 Ca 0.09 -0.06 0.17 0.00 -0.55 0.00 0.00 66.41 66.07 2e7c h THR 67 Cb 0.86 0.30 -0.16 0.00 -1.73 0.00 0.00 68.15 67.41 2e7c h THR 67 CO 0.79 0.03 -0.28 0.28 -0.25 0.00 0.00 175.52 176.08 2e7c h SER 68 N 0.16 -1.03 0.02 5.36 0.02 -2.05 -2.84 113.55 113.19 2e7c h SER 68 Ca 0.56 0.28 -0.39 0.00 -0.84 0.00 0.00 61.79 61.40 2e7c h SER 68 Cb 1.88 0.62 -0.06 0.00 0.14 0.00 0.00 62.40 64.98 2e7c h SER 68 CO -0.13 -0.30 -2.39 0.54 -1.14 0.00 0.00 176.83 173.41 2e7c n ARG 69 N -5.54 0.67 -2.81 3.45 3.00 -0.54 -4.91 116.66 109.97 2e7c n ARG 69 Ca 0.12 0.18 -0.42 0.00 -0.01 0.00 0.00 57.85 57.72 2e7c n ARG 69 Cb 0.43 -1.55 -0.03 0.00 0.00 0.00 0.00 32.46 31.31 2e7c n ARG 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2e7c s VAL 70 N -2.53 4.86 -0.84 1.55 1.01 -0.05 -4.22 120.40 120.19 2e7c s VAL 70 Ca -0.33 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.41 2e7c s VAL 70 Cb 0.09 -4.21 0.21 0.00 0.00 0.00 0.00 36.38 32.47 2e7c s VAL 70 CO 0.63 0.05 0.73 -2.28 0.00 0.00 0.00 175.10 174.22 2e7c s HIS 71 N 1.87 3.78 -0.50 5.22 2.46 -1.04 -4.07 115.29 123.01 2e7c s HIS 71 Ca 0.43 -2.70 -0.24 0.00 0.47 0.00 0.00 55.06 53.02 2e7c s HIS 71 Cb -0.18 -3.42 0.03 0.00 -0.13 0.00 0.00 32.58 28.88 2e7c s HIS 71 CO 0.16 -0.85 0.90 0.08 -2.47 0.00 0.00 174.74 172.57 2e7c s VAL 72 N -0.68 4.48 -0.72 0.89 1.01 -1.26 -3.02 120.40 121.10 2e7c s VAL 72 Ca 0.23 0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 2e7c s VAL 72 Cb -0.12 -4.45 0.10 0.00 0.00 0.00 0.00 36.38 31.91 2e7c s VAL 72 CO -0.08 -0.93 0.93 -0.13 0.00 0.00 0.00 175.10 174.89 2e7c s ARG 73 N 3.73 3.24 -0.21 2.72 1.81 0.24 -4.95 118.95 125.52 2e7c s ARG 73 Ca 0.33 -1.26 -0.16 0.00 -1.72 0.00 0.00 55.73 52.91 2e7c s ARG 73 Cb -0.12 -4.43 -0.04 0.00 -0.45 0.00 0.00 34.95 29.92 2e7c s ARG 73 CO 0.23 -1.72 0.40 0.99 -0.68 0.00 0.00 175.30 174.52 2e7c s THR 74 N 3.20 5.19 -0.01 0.02 2.01 -1.26 0.17 115.64 124.96 2e7c s THR 74 Ca 0.22 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.93 2e7c s THR 74 Cb -0.15 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2e7c s THR 74 CO 0.03 0.23 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.73 2e7c s SER 75 N 1.15 4.93 0.42 3.53 0.01 0.37 -4.92 113.70 119.19 2e7c s SER 75 Ca 0.19 -0.04 0.22 0.00 1.31 0.00 0.00 55.95 57.63 2e7c s SER 75 Cb -0.15 -1.25 1.20 0.00 0.21 0.00 0.00 66.02 66.03 2e7c s SER 75 CO 0.08 0.30 1.76 -2.24 0.41 0.00 0.00 173.24 173.55 2e7c h ASP 76 N 4.55 0.37 0.00 2.44 2.03 -1.97 -1.83 116.42 122.00 2e7c h ASP 76 Ca -0.49 0.08 -0.03 0.00 -0.73 0.00 0.00 57.03 55.86 2e7c h ASP 76 Cb 1.17 0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2e7c h ASP 76 CO 0.55 0.04 -0.19 2.19 -1.03 0.00 0.00 179.24 180.81 2e7c h PHE 77 N 0.31 0.00 -3.99 4.15 -0.00 -1.94 -3.45 116.94 112.02 2e7c h PHE 77 Ca 0.62 0.00 -0.28 0.00 -0.00 0.00 0.00 57.97 58.31 2e7c h PHE 77 Cb 1.73 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 37.53 2e7c h PHE 77 CO -0.00 0.76 -0.64 0.16 -0.00 0.00 0.00 178.31 178.59 2e7c s ASP 78 N -6.11 0.91 -0.11 -0.68 1.47 -0.69 -3.82 116.67 107.64 2e7c s ASP 78 Ca -0.15 -1.26 0.01 0.00 1.18 0.00 0.00 52.55 52.33 2e7c s ASP 78 Cb -0.01 0.19 -0.02 0.00 -0.34 0.00 0.00 42.92 42.75 2e7c s ASP 78 CO 0.48 -0.67 -0.13 0.28 0.68 0.00 0.00 175.17 175.81 2e7c s THR 79 N -3.82 3.11 -0.03 2.11 -1.32 -1.21 0.14 115.64 114.63 2e7c s THR 79 Ca 0.29 -0.66 0.07 0.00 -1.21 0.00 0.00 61.69 60.18 2e7c s THR 79 Cb 0.07 -2.29 -0.02 0.00 -1.51 0.00 0.00 72.50 68.75 2e7c s THR 79 CO 0.07 0.54 -0.24 -0.69 -2.21 0.00 0.00 174.62 172.09 2e7c s VAL 80 N 0.05 2.25 -0.09 5.08 1.01 0.13 -3.06 120.40 125.77 2e7c s VAL 80 Ca -0.05 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.94 2e7c s VAL 80 Cb -0.14 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2e7c s VAL 80 CO 0.04 0.58 -0.22 0.12 0.00 0.00 0.00 175.10 175.63 2e7c s PHE 81 N -0.60 2.33 0.05 5.22 2.19 -1.10 -0.59 117.98 125.47 2e7c s PHE 81 Ca 0.09 -0.91 0.03 0.00 0.33 0.00 0.00 56.93 56.47 2e7c s PHE 81 Cb -0.10 -1.57 -0.03 0.00 -1.31 0.00 0.00 43.02 40.01 2e7c s PHE 81 CO -0.00 -0.37 -0.09 0.12 1.83 0.00 0.00 175.22 176.71 2e7c s PHE 82 N 0.34 0.76 -0.07 10.12 2.19 -1.17 -2.04 117.98 128.12 2e7c s PHE 82 Ca -0.16 -0.52 -0.03 0.00 0.33 0.00 0.00 56.93 56.55 2e7c s PHE 82 Cb -0.17 -0.45 0.04 0.00 -1.31 0.00 0.00 43.02 41.13 2e7c s PHE 82 CO 0.07 -0.07 0.13 0.08 1.83 0.00 0.00 175.22 177.26 2e7c s VAL 83 N -1.50 -0.20 0.15 3.12 1.01 -1.22 -2.51 120.40 119.25 2e7c s VAL 83 Ca -0.07 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 2e7c s VAL 83 Cb -0.09 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.07 2e7c s VAL 83 CO 0.00 0.15 1.24 -1.14 0.00 0.00 0.00 175.10 175.35 2e7c n ARG 84 N 5.20 -0.30 -4.17 2.72 0.63 -1.26 -2.93 116.66 116.55 2e7c n ARG 84 Ca -0.07 1.22 -0.17 0.00 -0.92 0.00 0.00 57.85 57.92 2e7c n ARG 84 Cb 0.50 -1.80 -0.15 0.00 0.45 0.00 0.00 32.46 31.47 2e7c n ARG 84 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2e7c s GLN 85 N -5.52 0.49 -1.33 -0.14 -2.07 -1.26 -4.11 119.66 105.73 2e7c s GLN 85 Ca -0.10 -0.17 -0.13 0.00 -1.82 0.00 0.00 55.36 53.13 2e7c s GLN 85 Cb 0.11 -0.49 0.11 0.00 -1.09 0.00 0.00 33.01 31.66 2e7c s GLN 85 CO 0.52 0.08 1.88 0.00 -1.32 0.00 0.00 175.29 176.46 2e7c n ALA 86 N 3.13 4.85 -1.32 2.60 0.00 -0.88 -4.80 120.51 124.10 2e7c n ALA 86 Ca -0.15 -4.09 -0.29 0.00 0.00 0.00 0.00 53.44 48.90 2e7c n ALA 86 Cb 0.57 -3.27 0.14 0.00 0.00 0.00 0.00 19.45 16.89 2e7c n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7c s ALA 87 N 2.10 1.56 0.19 0.00 0.00 -1.26 -3.62 121.76 120.72 2e7c s ALA 87 Ca 0.45 -0.25 0.23 0.00 0.00 0.00 0.00 51.96 52.39 2e7c s ALA 87 Cb 0.08 -3.13 0.91 0.00 0.00 0.00 0.00 23.12 20.98 2e7c s ALA 87 CO -0.01 -2.35 1.83 0.00 0.00 0.00 0.00 175.76 175.23 2e7c h ARG 88 N -1.54 0.00 0.00 0.00 3.08 -1.94 -2.69 114.38 111.29 2e7c h ARG 88 Ca -0.51 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 2e7c h ARG 88 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 2e7c h ARG 88 CO 0.58 0.26 -0.23 0.66 -1.07 0.00 0.00 179.97 180.16 2e7c h SER 89 N 0.00 0.00 0.01 7.04 4.64 -1.99 -3.04 113.55 120.21 2e7c h SER 89 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2e7c h SER 89 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2e7c h SER 89 CO 0.03 0.23 -0.76 0.44 -0.87 0.00 0.00 176.83 175.90 2e7c h ASP 90 N 0.00 0.77 -1.28 4.97 3.32 -1.84 -3.46 116.42 118.89 2e7c h ASP 90 Ca -0.00 -0.50 -0.66 0.00 0.02 0.00 0.00 57.03 55.89 2e7c h ASP 90 Cb 0.79 -0.23 0.11 0.00 0.22 0.00 0.00 39.33 40.22 2e7c h ASP 90 CO 0.03 1.28 -0.43 -0.24 -1.72 0.00 0.00 179.24 178.16 2e7c n SER 91 N -3.90 -0.86 0.00 6.45 2.88 -1.15 -4.84 113.62 112.20 2e7c n SER 91 Ca -0.06 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2e7c n SER 91 Cb 0.73 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 2e7c n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e7c n GLY 92 N 1.88 -0.60 2.94 0.46 0.00 -1.08 -5.04 105.19 103.75 2e7c n GLY 92 Ca 0.16 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 2e7c n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e7c s GLU 93 N -1.28 1.47 -0.25 1.61 2.12 -1.26 -1.53 118.70 119.58 2e7c s GLU 93 Ca 0.00 -1.35 -0.23 0.00 0.36 0.00 0.00 54.97 53.76 2e7c s GLU 93 Cb 0.00 -2.72 -0.01 0.00 0.26 0.00 0.00 34.13 31.66 2e7c s GLU 93 CO 0.00 -0.79 0.73 0.71 -0.54 0.00 0.00 175.26 175.38 2e7c s TYR 94 N 1.24 3.30 -0.28 5.30 1.51 0.10 -2.77 117.35 125.75 2e7c s TYR 94 Ca 0.02 0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 56.97 2e7c s TYR 94 Cb -0.19 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 38.68 2e7c s TYR 94 CO -0.10 -0.36 0.15 -2.00 -1.11 0.00 0.00 175.55 172.13 2e7c s GLU 95 N 2.66 3.76 -0.29 -0.62 2.12 0.32 0.18 118.70 126.82 2e7c s GLU 95 Ca 0.31 -0.44 -0.11 0.00 0.36 0.00 0.00 54.97 55.08 2e7c s GLU 95 Cb -0.15 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 2e7c s GLU 95 CO 0.08 -0.23 0.21 -1.17 -0.54 0.00 0.00 175.26 173.60 2e7c s LEU 96 N 1.70 4.09 0.35 2.70 2.96 0.09 -3.29 118.68 127.28 2e7c s LEU 96 Ca 0.06 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.00 2e7c s LEU 96 Cb -0.16 -2.14 -0.07 0.00 0.50 0.00 0.00 46.19 44.32 2e7c s LEU 96 CO 0.08 -0.08 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.05 2e7c s SER 97 N 1.75 3.48 -0.22 3.68 1.04 -1.18 0.73 113.70 122.98 2e7c s SER 97 Ca 0.07 -1.27 -0.03 0.00 0.48 0.00 0.00 55.95 55.20 2e7c s SER 97 Cb -0.16 -0.31 0.10 0.00 0.10 0.00 0.00 66.02 65.75 2e7c s SER 97 CO 0.11 -0.35 0.24 -0.69 0.98 0.00 0.00 173.24 173.53 2e7c s VAL 98 N -2.78 -0.34 -0.08 5.02 1.01 0.80 -2.85 120.40 121.17 2e7c s VAL 98 Ca 0.33 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 2e7c s VAL 98 Cb 0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2e7c s VAL 98 CO 0.16 -0.25 0.51 -1.58 0.00 0.00 0.00 175.10 173.94 2e7c s GLN 99 N 2.34 4.31 0.25 2.72 0.74 -1.18 -0.00 119.66 128.83 2e7c s GLN 99 Ca 0.08 0.54 0.10 0.00 0.05 0.00 0.00 55.36 56.12 2e7c s GLN 99 Cb -0.16 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 2e7c s GLN 99 CO -0.16 0.24 -0.16 0.42 -0.55 0.00 0.00 175.29 175.08 2e7c s ILE 100 N 0.33 2.07 0.14 -2.34 -1.09 0.24 -1.45 121.20 119.10 2e7c s ILE 100 Ca 0.28 -2.29 -0.03 0.00 -2.23 0.00 0.00 60.65 56.37 2e7c s ILE 100 Cb -0.16 -2.21 0.22 0.00 -1.58 0.00 0.00 42.46 38.73 2e7c s ILE 100 CO 0.13 -0.48 0.76 -0.62 -1.23 0.00 0.00 174.94 173.50 2e7c n GLU 101 N -0.51 -0.04 0.00 2.79 -0.58 -1.26 -3.27 120.64 117.76 2e7c n GLU 101 Ca -0.06 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 2e7c n GLU 101 Cb 0.61 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 2e7c n GLU 101 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2e7c n ASN 102 N -4.76 1.73 -4.92 1.62 5.15 -1.26 -5.09 115.26 107.74 2e7c n ASN 102 Ca 0.08 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.79 2e7c n ASN 102 Cb 0.26 0.12 0.04 0.00 -0.53 0.00 0.00 39.78 39.68 2e7c n ASN 102 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2e7c s MET 103 N -1.37 2.69 -0.02 1.20 -1.94 -1.20 -5.11 119.30 113.55 2e7c s MET 103 Ca 0.00 -0.00 -0.30 0.00 -1.71 0.00 0.00 55.69 53.68 2e7c s MET 103 Cb 0.00 -2.20 0.07 0.00 2.01 0.00 0.00 34.83 34.71 2e7c s MET 103 CO 0.00 -0.91 0.66 0.21 -0.01 0.00 0.00 175.02 174.97 2e7c s LYS 104 N -5.13 1.08 0.09 2.03 2.20 -1.26 0.81 119.74 119.56 2e7c s LYS 104 Ca 0.56 0.15 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 2e7c s LYS 104 Cb -0.11 0.51 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 2e7c s LYS 104 CO 0.46 -0.36 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.51 2e7c s ASP 105 N -1.41 1.10 0.07 1.43 1.11 0.99 -4.94 116.67 115.03 2e7c s ASP 105 Ca -0.09 -0.93 -0.01 0.00 0.18 0.00 0.00 52.55 51.70 2e7c s ASP 105 Cb -0.00 0.08 -0.04 0.00 1.07 0.00 0.00 42.92 44.03 2e7c s ASP 105 CO 0.07 -0.42 -0.00 0.42 1.18 0.00 0.00 175.17 176.41 2e7c s THR 106 N -3.23 0.19 0.05 -1.27 -4.23 -1.26 -0.14 115.64 105.75 2e7c s THR 106 Ca 0.08 -1.82 -0.27 0.00 -1.18 0.00 0.00 61.69 58.51 2e7c s THR 106 Cb 0.03 -1.63 0.09 0.00 1.34 0.00 0.00 72.50 72.32 2e7c s THR 106 CO -0.04 -0.87 0.75 0.00 -0.54 0.00 0.00 174.62 173.93 2e7c s ALA 107 N -3.95 -1.73 -0.01 3.99 0.00 0.22 -4.89 121.76 115.40 2e7c s ALA 107 Ca 0.11 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.96 2e7c s ALA 107 Cb 0.08 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 2e7c s ALA 107 CO -0.07 -0.67 -0.13 0.99 0.00 0.00 0.00 175.76 175.87 2e7c s THR 108 N -3.11 1.05 -0.02 0.00 2.01 -1.26 -0.73 115.64 113.58 2e7c s THR 108 Ca 0.02 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2e7c s THR 108 Cb -0.01 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 2e7c s THR 108 CO -0.09 0.30 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.39 2e7c s ILE 109 N -0.28 1.02 -0.17 1.82 1.01 0.47 -4.91 121.20 120.15 2e7c s ILE 109 Ca 0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 2e7c s ILE 109 Cb -0.05 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 2e7c s ILE 109 CO -0.00 0.30 -0.03 -0.13 0.00 0.00 0.00 174.94 175.07 2e7c s ARG 110 N -0.14 3.62 -0.06 2.79 0.52 -1.26 0.02 118.95 124.43 2e7c s ARG 110 Ca 0.02 -0.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2e7c s ARG 110 Cb -0.07 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.46 2e7c s ARG 110 CO 0.00 0.15 -0.17 0.42 0.02 0.00 0.00 175.30 175.72 2e7c s ILE 111 N 0.61 1.47 -0.08 1.52 1.01 -0.58 -3.00 121.20 122.14 2e7c s ILE 111 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2e7c s ILE 111 Cb -0.14 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.06 2e7c s ILE 111 CO 0.02 0.42 -0.12 -0.60 0.00 0.00 0.00 174.94 174.67 2e7c s ARG 112 N 0.27 1.78 -0.17 2.79 3.52 -0.08 -2.62 118.95 124.43 2e7c s ARG 112 Ca -0.10 -0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 2e7c s ARG 112 Cb -0.14 -1.53 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 2e7c s ARG 112 CO 0.04 -0.04 0.04 0.08 -0.81 0.00 0.00 175.30 174.61 2e7c s VAL 113 N 0.89 4.58 -0.11 7.11 1.01 -1.26 -1.97 120.40 130.65 2e7c s VAL 113 Ca -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2e7c s VAL 113 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2e7c s VAL 113 CO 0.01 0.49 -0.03 0.68 0.00 0.00 0.00 175.10 176.25 2e7c s VAL 114 N 0.21 4.02 0.05 2.92 -7.23 0.62 -4.93 120.40 116.05 2e7c s VAL 114 Ca 0.03 -0.34 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 2e7c s VAL 114 Cb -0.13 -2.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 2e7c s VAL 114 CO 0.01 0.55 1.86 -1.61 -0.31 0.00 0.00 175.10 175.60 2e7c s GLU 115 N -0.33 4.15 0.29 4.82 2.02 -1.26 -2.25 118.70 126.15 2e7c s GLU 115 Ca 0.06 2.52 0.10 0.00 0.02 0.00 0.00 54.97 57.67 2e7c s GLU 115 Cb -0.12 -3.94 0.91 0.00 0.10 0.00 0.00 34.13 31.07 2e7c s GLU 115 CO 0.02 -0.89 1.33 0.36 0.02 0.00 0.00 175.26 176.10 2e7c n LYS 116 N 6.84 -0.06 -4.70 1.61 2.85 -1.26 -4.22 118.16 119.21 2e7c n LYS 116 Ca 0.19 1.21 -0.24 0.00 -1.05 0.00 0.00 58.31 58.42 2e7c n LYS 116 Cb 0.41 -2.06 -0.15 0.00 -0.65 0.00 0.00 35.03 32.58 2e7c n LYS 116 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2e7c s ALA 117 N -5.53 1.46 0.00 0.58 0.00 -1.26 -5.03 121.76 111.98 2e7c s ALA 117 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2e7c s ALA 117 Cb 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2e7c s ALA 117 CO 0.66 0.34 0.00 0.41 0.00 0.00 0.00 175.76 177.17